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Title: Materials Data on BrN4 by Materials Project

Abstract

N4Br crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two N4Br ribbons oriented in the (1, 0, 0) direction. there are four inequivalent N+1.25- sites. In the first N+1.25- site, N+1.25- is bonded in a distorted trigonal planar geometry to three N+1.25- atoms. There are a spread of N–N bond distances ranging from 1.30–1.40 Å. In the second N+1.25- site, N+1.25- is bonded in a bent 120 degrees geometry to two N+1.25- atoms. The N–N bond length is 1.28 Å. In the third N+1.25- site, N+1.25- is bonded in a water-like geometry to two N+1.25- atoms. In the fourth N+1.25- site, N+1.25- is bonded in a bent 120 degrees geometry to one N+1.25- and one Br5+ atom. The N–Br bond length is 1.88 Å. Br5+ is bonded in a single-bond geometry to one N+1.25- atom.

Publication Date:
Other Number(s):
mp-1106142
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BrN4; Br-N
OSTI Identifier:
1685368
DOI:
https://doi.org/10.17188/1685368

Citation Formats

The Materials Project. Materials Data on BrN4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685368.
The Materials Project. Materials Data on BrN4 by Materials Project. United States. doi:https://doi.org/10.17188/1685368
The Materials Project. 2020. "Materials Data on BrN4 by Materials Project". United States. doi:https://doi.org/10.17188/1685368. https://www.osti.gov/servlets/purl/1685368. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1685368,
title = {Materials Data on BrN4 by Materials Project},
author = {The Materials Project},
abstractNote = {N4Br crystallizes in the orthorhombic P2_12_12_1 space group. The structure is one-dimensional and consists of two N4Br ribbons oriented in the (1, 0, 0) direction. there are four inequivalent N+1.25- sites. In the first N+1.25- site, N+1.25- is bonded in a distorted trigonal planar geometry to three N+1.25- atoms. There are a spread of N–N bond distances ranging from 1.30–1.40 Å. In the second N+1.25- site, N+1.25- is bonded in a bent 120 degrees geometry to two N+1.25- atoms. The N–N bond length is 1.28 Å. In the third N+1.25- site, N+1.25- is bonded in a water-like geometry to two N+1.25- atoms. In the fourth N+1.25- site, N+1.25- is bonded in a bent 120 degrees geometry to one N+1.25- and one Br5+ atom. The N–Br bond length is 1.88 Å. Br5+ is bonded in a single-bond geometry to one N+1.25- atom.},
doi = {10.17188/1685368},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}